N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide

C17H20N4O3S — CID 113042952

IUPACN-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(NC3CCS(=O)(=O)C3)nn2)c1
InChIInChI=1S/C17H20N4O3S/c1-12-3-2-4-13(9-12)10-17(22)19-16-6-5-15(20-21-16)18-14-7-8-25(23,24)11-14/h2-6,9,14H,7-8,10-11H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyGSSKQESOMVBCCE-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.57
Rot. Bonds5

About N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide

N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide (PubChem CID 113042952) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide
PubChem CID113042952
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(NC3CCS(=O)(=O)C3)nn2)c1
InChIInChI=1S/C17H20N4O3S/c1-12-3-2-4-13(9-12)10-17(22)19-16-6-5-15(20-21-16)18-14-7-8-25(23,24)11-14/h2-6,9,14H,7-8,10-11H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyGSSKQESOMVBCCE-UHFFFAOYSA-N
XLogP1.57
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113013628
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 110673351
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042905
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113013629
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042936
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 113042946
N-(1,1-dioxothiolan-3-yl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996740
2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide
CID 113042939
1-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)ethanone
CID 64904976
N-(1,1-dioxothiolan-3-yl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019597
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113038874
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide
CID 26512857

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide (CID 113042952) is N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(NC3CCS(=O)(=O)C3)nn2)c1.
What is the InChIKey of N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
The InChIKey is GSSKQESOMVBCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-12-3-2-4-13(9-12)10-17(22)19-16-6-5-15(20-21-16)18-14-7-8-25(23,24)11-14/h2-6,9,14H,7-8,10-11H2,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide has a molecular weight of 360.44 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113042952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).